5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide

C15H18FNO2 — CID 54921719

IUPAC5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C15H18FNO2/c1-11(2)10-17-15(19)14-9-13(16)7-6-12(14)5-3-4-8-18/h6-7,9,11,18H,4,8,10H2,1-2H3,(H,17,19)
InChIKeyTVCDICDWPHJFDV-UHFFFAOYSA-N
MW263.31 g/mol
LogP1.95
Rot. Bonds4

About 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide

5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide (PubChem CID 54921719) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
PubChem CID54921719
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
SMILESCC(C)CNC(=O)c1cc(F)ccc1C#CCCO
InChIInChI=1S/C15H18FNO2/c1-11(2)10-17-15(19)14-9-13(16)7-6-12(14)5-3-4-8-18/h6-7,9,11,18H,4,8,10H2,1-2H3,(H,17,19)
InChIKeyTVCDICDWPHJFDV-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816589
N-(3-ethoxypropyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 60816584
3-chloro-4-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide
CID 81291077
2-(4-hydroxybut-1-ynyl)-5-methyl-N-(3-methylbutyl)benzamide
CID 81112469
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-propylbenzamide
CID 60816255
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylcyclopentyl)benzamide
CID 63279208
3-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)thiophene-2-carboxamide
CID 63797586
N-(2-amino-2-oxoethyl)-5-fluoro-2-(4-hydroxybut-1-ynyl)-N-methylbenzamide
CID 60821326
N-butyl-4-fluoro-2-(4-hydroxybut-1-ynyl)benzamide
CID 54922080
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-pyridin-2-ylbenzamide
CID 60817200
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentylbenzamide
CID 60817066
4-fluoro-2-(4-hydroxybut-1-ynyl)-N-pentan-2-ylbenzamide
CID 60817366

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide?
The IUPAC name of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide (CID 54921719) is 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide?
The canonical SMILES for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide is CC(C)CNC(=O)c1cc(F)ccc1C#CCCO.
What is the InChIKey of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide?
The InChIKey is TVCDICDWPHJFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-11(2)10-17-15(19)14-9-13(16)7-6-12(14)5-3-4-8-18/h6-7,9,11,18H,4,8,10H2,1-2H3,(H,17,19).
What are the key properties of 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide?
5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide has a molecular weight of 263.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-hydroxybut-1-ynyl)-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 54921719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).